%chk=000123841.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123841

0 1
 S  -0.8618000       1.968700     -0.5256000    
 O   6.6600002E-02   2.729100      -1.347200    
 O   -2.253000       1.839600     -0.9307000    
 O    3.708000      -2.368200     -0.2459000    
 N   -2.421400     -0.5848000      9.6100003E-02
 N    3.947900     -0.1017000     -0.6431000    
 N    5.172200       1.781400      0.2241000    
 N    4.186100      0.2893000       1.640100    
 C   -3.301700      -1.333000     -0.8087000    
 C   -2.961400     -0.2812000       1.429100    
 C   -4.662700     -0.6480000     -0.9235000    
 C   -4.317900      0.4106000       1.313900    
 C   -5.279800     -0.3917000      0.4459000    
 C   -1.033100     -0.7270000     -2.0400001E-02
 C  -0.1900000      0.3667000     -0.3044000    
 C  -0.4395000      -1.993600      0.1479000    
 C    1.190200      0.1995000     -0.4153000    
 C   0.9408000      -2.160700      3.6899999E-02
 C    1.755700      -1.064200     -0.2447000    
 C  -0.8566000       2.673100       1.106100    
 C    3.194900      -1.239200     -0.3604000    
 C    4.416500      0.6353000      0.3297000    
 H   -3.429000      -2.357700     -0.4383000    
 H   -2.856200      -1.395500      -1.809200    
 H   -2.276100      0.3267000       2.022300    
 H   -3.081200      -1.223500       1.980400    
 H   -5.337100      -1.268500      -1.524300    
 H   -4.550600      0.3056000      -1.453700    
 H   -4.191000       1.412600      0.8881000    
 H   -4.747200      0.5428000       2.313400    
 H   -6.223500      0.1533000      0.3336000    
 H   -5.512600      -1.346200      0.9331000    
 H   -1.055500      -2.861400      0.3736000    
 H    1.808500       1.064500     -0.6333000    
 H    1.357000      -3.154800      0.1761000    
 H   -1.618700       2.218100       1.729900    
 H   0.1359000       2.552600       1.544400    
 H   -1.077400       3.738800       1.002900    
 H    5.427500       2.158300     -0.6821000    
 H    5.490900       2.283800       1.045300    
 H    3.657300     -0.5333000       1.906700    
 H    4.547500      0.8582000       2.398400    


%chk=000123841-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123841

0 1
S -1.052608 2.365142 -0.034389
O 0.191039 3.168274 -0.734882
O -2.539030 2.440346 -0.711515
O 3.702103 -1.973924 0.393543
N -2.673958 -0.654211 0.155306
N 3.766251 0.417382 0.345895
N 5.674488 1.732161 0.315984
N 5.936796 -0.624711 0.398291
C -3.364419 -1.857778 -0.366927
C -3.523664 0.160749 1.058907
C -4.681384 -1.465893 -1.075184
C -4.839860 0.589740 0.384456
C -5.601530 -0.643648 -0.147623
C -1.274996 -0.630595 0.218964
C -0.448884 0.547076 0.228876
C -0.541403 -1.869129 0.236149
C 0.952581 0.502974 0.259451
C 0.855834 -1.922875 0.285159
C 1.631917 -0.736400 0.307255
C -1.167949 3.144534 1.721605
C 3.119864 -0.811503 0.353553
C 5.117575 0.472775 0.354489
H -3.586829 -2.576177 0.458324
H -2.702221 -2.363344 -1.089272
H -2.965682 1.047066 1.387396
H -3.749602 -0.447969 1.967958
H -5.187614 -2.390093 -1.414555
H -4.434616 -0.867933 -1.972897
H -4.588209 1.280426 -0.439454
H -5.456886 1.142899 1.118505
H -6.512214 -0.330316 -0.690987
H -5.933973 -1.276536 0.702498
H -1.105393 -2.805563 0.261624
H 1.544663 1.421640 0.187511
H 1.380846 -2.883106 0.322038
H -1.940127 2.615537 2.295670
H -0.167870 3.042644 2.164183
H -1.435670 4.193483 1.531713
H 5.024706 2.512951 0.253873
H 6.677196 1.897700 0.310195
H 5.416348 -1.527567 0.417825
H 6.952884 -0.561829 0.387690


